BDBM301686 US10131692, Compound 18

SMILES: CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1

InChI Key: InChIKey=XIJJZASAKZPMAX-MLMVTELGSA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 301686   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM301686 (US10131692, Compound 18) Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$| Show InChI InChI=1S/C47H67ClN12O9S2/c1-26(2)25-53-40(63)31(9-5-17-52-47(50)51)55-44(67)36-10-6-18-60(36)46(69)32-15-20-70-21-16-38(62)54-33(22-28-11-13-29(48)14-12-28)41(64)57-34(23-30-8-7-19-71-30)43(66)59-39(27(3)4)45(68)58-35(24-37(49)61)42(65)56-32/h7-8,11-14,19,26-27,31-36,39H,5-6,9-10,15-18,20-25H2,1-4H3,(H2,49,61)(H,53,63)(H,55,67)(H,57,64)(H,58,68)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Ferring B.V. US Patent					Assay Description Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...				US Patent US10131692 (2018) BindingDB Entry DOI: 10.7270/Q2WQ05TR
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM301686 (US10131692, Compound 18) Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$| Show InChI InChI=1S/C47H67ClN12O9S2/c1-26(2)25-53-40(63)31(9-5-17-52-47(50)51)55-44(67)36-10-6-18-60(36)46(69)32-15-20-70-21-16-38(62)54-33(22-28-11-13-29(48)14-12-28)41(64)57-34(23-30-8-7-19-71-30)43(66)59-39(27(3)4)45(68)58-35(24-37(49)61)42(65)56-32/h7-8,11-14,19,26-27,31-36,39H,5-6,9-10,15-18,20-25H2,1-4H3,(H2,49,61)(H,53,63)(H,55,67)(H,57,64)(H,58,68)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.220	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...				J Med Chem 62: 4991-5005 (2019) Article DOI: 10.1021/acs.jmedchem.9b00132
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM301686 (US10131692, Compound 18) Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$| Show InChI InChI=1S/C47H67ClN12O9S2/c1-26(2)25-53-40(63)31(9-5-17-52-47(50)51)55-44(67)36-10-6-18-60(36)46(69)32-15-20-70-21-16-38(62)54-33(22-28-11-13-29(48)14-12-28)41(64)57-34(23-30-8-7-19-71-30)43(66)59-39(27(3)4)45(68)58-35(24-37(49)61)42(65)56-32/h7-8,11-14,19,26-27,31-36,39H,5-6,9-10,15-18,20-25H2,1-4H3,(H2,49,61)(H,53,63)(H,55,67)(H,57,64)(H,58,68)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human V1B receptor expressed in HEK293 cells measured after 5 hrs by luciferase reporter gene assay				J Med Chem 62: 4991-5005 (2019) Article DOI: 10.1021/acs.jmedchem.9b00132
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM301686 (US10131692, Compound 18) Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$| Show InChI InChI=1S/C47H67ClN12O9S2/c1-26(2)25-53-40(63)31(9-5-17-52-47(50)51)55-44(67)36-10-6-18-60(36)46(69)32-15-20-70-21-16-38(62)54-33(22-28-11-13-29(48)14-12-28)41(64)57-34(23-30-8-7-19-71-30)43(66)59-39(27(3)4)45(68)58-35(24-37(49)61)42(65)56-32/h7-8,11-14,19,26-27,31-36,39H,5-6,9-10,15-18,20-25H2,1-4H3,(H2,49,61)(H,53,63)(H,55,67)(H,57,64)(H,58,68)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a
Ferring B.V. US Patent					Assay Description To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...				US Patent US10131692 (2018) BindingDB Entry DOI: 10.7270/Q2WQ05TR
					More data for this Ligand-Target Pair